⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1936845 | 0.67 | — | — | |
| SCHEMBL1935384 | 0.67 | — | — | |
| SCHEMBL19606167 | 0.62 | — | — | |
| SCHEMBL10511981 | 0.58 | — | — | |
| SCHEMBL14002800 | 0.57 | — | — | |
| SCHEMBL762971 | 0.57 | — | — | |
| SCHEMBL7942881 | 0.56 | — | — | |
| SCHEMBL12946459 | 0.56 | — | — | |
| SCHEMBL25042202 | 0.55 | — | — | |
| SCHEMBL13186264 | 0.55 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0724570-B1 | AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | SEARLE & CO (US) | 1999-03-03 | — | — | EP | claimed |